3-[2-[[2-[4-[[1,3-Bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]carbamoyl]pyridin-2-yl]pyridine-4-carbonyl]amino]-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid | 192381-53-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[2-[[2-[4-[[1,3-Bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]carbamoyl]pyridin-2-yl]pyridine-4-carbonyl]amino]-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid
• 英文别名: 3-[2-[[2-[4-[[1,3-bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]carbamoyl]pyridin-2-yl]pyridine-4-carbonyl]amino]-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid
• CAS: 192381-53-6
• 化学式: C₃₈H₅₀N₄O₂₀
• 分子量: 882.83
• InChiKey: DFPPHGYBRLNSIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  62
• 可旋转键数：
  35
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  363
• 氢给体数：
  8
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  dimethyl 3,3‘-((2-amino-2-((3-methoxy-3-oxopropoxy)methyl)propane-1,3-diyl)bis(oxy))dipropionate 、 3-[2-[[2-[4-[[1,3-Bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]carbamoyl]pyridin-2-yl]pyridine-4-carbonyl]amino]-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Dendritic Bipyridine Ligands and Their Tris(Bipyridine)Ruthenium(II) Chelates—Syntheses, Absorption Spectra, and Photophysical Properties

  摘要：

  AbstractSeveral synthetic strategies have been explored to prepare dendrimers having the [Ru(bpy)3]2+ complex as their core (bpy = 2,2′‐bipyridine). Dendritic ligands have been synthesized by attaching branches in the 4,4′‐positions of bpy. The largest dendritic bipyridine ligand contains 54 peripherical methylester units. Four RuII dendritic complexes have been prepared. Their absorption and emission spectra are very similar to those of the unsubstituted parent RuII–bipyridine complexes. The large dendritic complexes, however, exhibit a more intense emission and a longer excited‐state lifetime than [Ru(bpy)3]2+ in aerated solutions. This is due to the shielding effect of the dendrimer branches on the Ru–bipyridine core, which limits the quenching effect of molecular oxygen. For the largest dendritic complex, which contains 54 peripherical methylester units, the excited‐state lifetime in aerated acetonitrile solution is longer than 1 μs, and the rate constant for dioxygen quenching is twelve times smaller than for [Ru(bpy)3]2+.

  DOI：

  10.1002/chem.19970030509
• 作为产物：
  描述：

  2,2'-联吡啶-4,4'-二甲酸 在 sodium hydroxide 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 50.0h， 生成 3-[2-[[2-[4-[[1,3-Bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]carbamoyl]pyridin-2-yl]pyridine-4-carbonyl]amino]-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid
  参考文献：
  名称：

  Dendritic Bipyridine Ligands and Their Tris(Bipyridine)Ruthenium(II) Chelates—Syntheses, Absorption Spectra, and Photophysical Properties

  摘要：

  AbstractSeveral synthetic strategies have been explored to prepare dendrimers having the [Ru(bpy)3]2+ complex as their core (bpy = 2,2′‐bipyridine). Dendritic ligands have been synthesized by attaching branches in the 4,4′‐positions of bpy. The largest dendritic bipyridine ligand contains 54 peripherical methylester units. Four RuII dendritic complexes have been prepared. Their absorption and emission spectra are very similar to those of the unsubstituted parent RuII–bipyridine complexes. The large dendritic complexes, however, exhibit a more intense emission and a longer excited‐state lifetime than [Ru(bpy)3]2+ in aerated solutions. This is due to the shielding effect of the dendrimer branches on the Ru–bipyridine core, which limits the quenching effect of molecular oxygen. For the largest dendritic complex, which contains 54 peripherical methylester units, the excited‐state lifetime in aerated acetonitrile solution is longer than 1 μs, and the rate constant for dioxygen quenching is twelve times smaller than for [Ru(bpy)3]2+.

  DOI：

  10.1002/chem.19970030509

文献信息

• Dendritic Bipyridine Ligands and Their Tris(Bipyridine)Ruthenium(II) Chelates—Syntheses, Absorption Spectra, and Photophysical Properties
  作者：Jörg Issberner、Fritz Vögtle、Luisa De Cola、Vincenzo Balzani

  DOI：10.1002/chem.19970030509

  日期：1997.5

  AbstractSeveral synthetic strategies have been explored to prepare dendrimers having the [Ru(bpy)3]2+ complex as their core (bpy = 2,2′‐bipyridine). Dendritic ligands have been synthesized by attaching branches in the 4,4′‐positions of bpy. The largest dendritic bipyridine ligand contains 54 peripherical methylester units. Four RuII dendritic complexes have been prepared. Their absorption and emission spectra are very similar to those of the unsubstituted parent RuII–bipyridine complexes. The large dendritic complexes, however, exhibit a more intense emission and a longer excited‐state lifetime than [Ru(bpy)3]2+ in aerated solutions. This is due to the shielding effect of the dendrimer branches on the Ru–bipyridine core, which limits the quenching effect of molecular oxygen. For the largest dendritic complex, which contains 54 peripherical methylester units, the excited‐state lifetime in aerated acetonitrile solution is longer than 1 μs, and the rate constant for dioxygen quenching is twelve times smaller than for [Ru(bpy)3]2+.